CID 524249

95046-35-8

Structural Information

Molecular Formula
C12H20O2
SMILES
CC(C)C1=CCC(CC1)(C)OC(=O)C
InChI
InChI=1S/C12H20O2/c1-9(2)11-5-7-12(4,8-6-11)14-10(3)13/h5,9H,6-8H2,1-4H3
InChIKey
HTFJGCGGTGREIF-UHFFFAOYSA-N
Compound name
(1-methyl-4-propan-2-ylcyclohex-3-en-1-yl) acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

196.14633 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.153606 145.1
[M+Na]+ 219.135548 150.9
[M-H]- 195.139054 148.4
[M+NH4]+ 214.180153 166.6
[M+K]+ 235.109488 150.5
[M+H-H2O]+ 179.143590 140.4
[M+HCOO]- 241.144531 164.5
[M+CH3COO]- 255.160181 186.0
[M+Na-2H]- 217.120996 147.9
[M]+ 196.14578142 144.8
[M]- 196.14687858 144.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.